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Magbasite |
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Welch M D, Mitchell R H, Kampf A R, Chakhmouradian, Smith D, Carter M |
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Mineralogical Magazine 78 (2014) 29-45 |
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Crystal structure and topological affinities of magbasite, |
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KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite |
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Locality: Eldor carbonatite complex, Labrador Trough, Quebec, Canada |
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_database_code_amcsd 0020127 |
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18.9506 22.5045 5.2780 90 90 90 Cmma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KA .5 .25 .1671 .0218 .0253 .0194 .0209 0 0 0 |
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BaB .25 0 0 .0142 .0231 .00886 .01064 0 0 0 |
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Fe1 .25 .17858 0 .026 .0082 .0097 .0075 .0075 0 .0003 0 |
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Mg1 .25 .17858 0 .974 .0082 .0097 .0075 .0075 0 .0003 0 |
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Mg2 .25 .10953 .5 .967 .0086 .0102 .0078 .0078 0 .0013 0 |
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Fe2 .25 .10953 .5 .033 .0086 .0102 .0078 .0078 0 .0013 0 |
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Mg3 .25 .25 .5 .997 .0074 .0090 .0066 .0065 0 -.0007 0 |
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Fe3 .25 .25 .5 .003 .0074 .0090 .0066 .0065 0 -.0007 0 |
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Mg4 .08910 0 .5 .694 .0099 .0113 .0099 .0084 -.0021 0 0 |
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Fe4 .08910 0 .5 .306 .0099 .0113 .0099 .0084 -.0021 0 0 |
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Al5 0 0 0 .100 .0078 .0099 .0068 .0067 0 0 .0000 |
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Fe5 0 0 0 .900 .0078 .0099 .0068 .0067 0 0 .0000 |
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Si1 .10920 .18227 .33473 .0069 .0081 .0059 .0067 -.0002 .0001 -.0001 |
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Si2 .39170 .11413 .16654 .0072 .0083 .0064 .0068 .0007 .0000 .0002 |
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O2 .07852 .25 .3314 .0110 .0112 .0059 .0159 0 -.0004 0 |
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O3 .19395 .18251 .3343 .0084 .0090 .0081 .0082 -.0007 -.0000 -.0006 |
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O4 .30704 .11463 .1727 .0091 .0094 .0088 .0090 .0009 .0005 .0004 |
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O5 .42215 .15204 .4110 .0109 .0106 .0120 .0100 -.0001 .0005 -.0032 |
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O6 .07865 .15062 .0815 .0101 .0102 .0113 .0088 -.0001 -.0001 -.0029 |
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O7 .42252 .04791 .1718 .0101 .0121 .0077 .0104 .0026 .0007 .0007 |
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O1 0 .04359 .3220 .0109 .0159 .0060 .0108 0 0 -.0012 |
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H 0 .077 .313 .05 |
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F1 .30215 .25 .1643 .0113 .0130 .0103 .0106 0 .0012 0 |
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F2 .17678 .05164 .3728 .0161 .0191 .0141 .0153 -.0043 .0013 -.0026 |
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